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Compound Detail

CHEMBL80224

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CCOC(=O)O[C@H]1C=C[C@@]2(CCN(C)C(=O)OCC)c3c(CCl)ccc(OC)c3O[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80224
Phase Preclinical
Structure Type MOL
InChI Key DKZNEJDFZZCYJL-CEXJFXJFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.9
MW (Da)
4.41
ALogP
7
HBA
0
HBD
83.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClNO7
MW 467.95
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.60

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12824041 10.1016/s0960-894x(03)00397-4 Cholinesterase 2
12824041 10.1016/s0960-894x(03)00397-4 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine